General Information of the Compound
| Compound ID |
CP0404950
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3-methylphenyl)methyl]-4-oxo-7-phenylsulfanyl-N-[(1R,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H36N2O2S
|
||||||||||||||||||
| Molecular Weight |
536.741
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@]3(C)C4)c(=O)c3ccc(Sc4ccccc4)cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H36N2O2S/c1-22-9-8-10-23(17-22)20-36-21-28(31(38)35-32-33(2,3)24-15-16-34(32,4)19-24)30(37)27-14-13-26(18-29(27)36)39-25-11-6-5-7-12-25/h5-14,17-18,21,24,32H,15-16,19-20H2,1-4H3,(H,35,38)/t24?,32-,34-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJMDAWQCQFXIKI-HZQOUZEWSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2